Water → 2-[(2'-Oxo-2,2',3,3'-tetrahydrospiro[furo[2,3-g][1,4]benzodioxine-8,1'-inden]-3'-yl)methyl]pyridine-3-carbonitrile

HRID 158792Notes

Reaction equation

HRID 158792 reaction equation
[Br:1][c:2]1[c:3]([CH2:8][CH:9]2[C:10](=[O:30])[C:11]3([CH2:12][O:13][c:14]4[cH:15][c:16]5[c:17]([cH:22][c:23]43)[O:18][CH2:19][CH2:20][O:21]5)[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]32)[n:4][cH:5][cH:6][cH:7]1.[CH3:35][N:36]1[CH2:37][CH2:38][CH2:39][C:40]1=[O:41].[Na:31][C:32]#[N:33].[Ni:48]([Cl:49])[Cl:50].[OH2:34].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47]>>[c:2]1([C:32]#[N:33])[c:3]([CH2:8][CH:9]2[C:10](=[O:30])[C:11]3([CH2:12][O:13][c:14]4[cH:15][c:16]5[c:17]([cH:22][c:23]43)[O:18][CH2:19][CH2:20][O:21]5)[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]32)[n:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962Water7×HCID 13387N-methyl-2-pyrrolidoneHCID 24385Nickel DichlorideHCID 673576033'-[(3-Bromopyridin-2-yl)methyl]-2,3-dihydrospiro[furo[2,3-g][1,4]-benzodioxine-8,1'-inden]-2'(3'H)-oneHCID 178511850HCID 178511850, compound

Product 1

HCID 673567312-[(2'-Oxo-2,2',3,3'-tetrahydrospiro[furo[2,3-g][1,4]benzodioxine-8,1'-inden]-3'-yl)methyl]pyridine-3-carbonitrile

Sources & evidence

ORD record
ord-13aa6d1eaa9e46fea88427c385b3698a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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